(2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid

C6H10F3NO3 — CID 174242020

IUPAC(2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESC[C@H]1NC[C@@H]1O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3-4(6)2-5-3;3-2(4,5)1(6)7/h3-6H,2H2,1H3;(H,6,7)/t3-,4+;/m1./s1
InChIKeyKPIBUMBDQAVGQC-HJXLNUONSA-N
MW201.14 g/mol
LogP-0.03
Rot. Bonds

About (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid

(2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid (PubChem CID 174242020) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid
PubChem CID174242020
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name(2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid
SMILESC[C@H]1NC[C@@H]1O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-3-4(6)2-5-3;3-2(4,5)1(6)7/h3-6H,2H2,1H3;(H,6,7)/t3-,4+;/m1./s1
InChIKeyKPIBUMBDQAVGQC-HJXLNUONSA-N
XLogP-0.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid (CID 174242020) is (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid is C[C@H]1NC[C@@H]1O.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid?
The InChIKey is KPIBUMBDQAVGQC-HJXLNUONSA-N. The full InChI is InChI=1S/C4H9NO.C2HF3O2/c1-3-4(6)2-5-3;3-2(4,5)1(6)7/h3-6H,2H2,1H3;(H,6,7)/t3-,4+;/m1./s1.
What are the key properties of (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid?
(2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid has a molecular weight of 201.14 g/mol, XLogP of -0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174242020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).